21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium

C76H60N8+2 — CID 58435144

About 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium

21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium (PubChem CID 58435144) has the molecular formula C76H60N8+2 and a molecular weight of 1085.37 g/mol. Its IUPAC name is 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium.

Molecular Properties

• Compound Name: 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium
• PubChem CID: 58435144
• Molecular Formula: C76H60N8+2
• Molecular Weight: 1085.37 g/mol
• Exact Mass: 1084.49
• IUPAC Name: 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium
• SMILES: Cn1c2cc(-c3ccc4c(c3)c3ccccc3n4C)c1cc1[n+](C)c(cc3cc(-c4ccc5c(c4)c4ccccc4n5C)c(cc4[n+](C)c(c2)C(c2ccc5c(c2)c2ccccc2n5C)=C4)n3C)C(c2ccc3c(c2)c2ccccc2n3C)=C1
• InChI: InChI=1S/C76H60N8/c1-77-49-37-57(45-25-29-69-61(33-45)53-17-9-13-21-65(53)81(69)5)73(77)42-50-38-59(47-27-31-71-63(35-47)55-19-11-15-23-67(55)83(71)7)75(78(50)2)44-52-40-60(48-28-32-72-64(36-48)56-20-12-16-24-68(56)84(72)8)76(80(52)4)43-51-39-58(74(41-49)79(51)3)46-26-30-70-62(34-46)54-18-10-14-22-66(54)82(70)6/h9-44H,1-8H3/q+2/b49-41-,50-42-,51-43-,52-44-,73-42-,74-41-,75-44-,76-43-
• InChIKey: AMGXDMMHWXLUPS-ZWBBMJNMSA-N
• XLogP: 16.29
• TPSA: 37.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1085.37
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium?

The IUPAC name of 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium (CID 58435144) is 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium.

What is the SMILES notation for 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium?

The canonical SMILES for 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium is Cn1c2cc(-c3ccc4c(c3)c3ccccc3n4C)c1cc1[n+](C)c(cc3cc(-c4ccc5c(c4)c4ccccc4n5C)c(cc4[n+](C)c(c2)C(c2ccc5c(c2)c2ccccc2n5C)=C4)n3C)C(c2ccc3c(c2)c2ccccc2n3C)=C1.

What is the InChIKey of 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium?

The InChIKey is AMGXDMMHWXLUPS-ZWBBMJNMSA-N. The full InChI is InChI=1S/C76H60N8/c1-77-49-37-57(45-25-29-69-61(33-45)53-17-9-13-21-65(53)81(69)5)73(77)42-50-38-59(47-27-31-71-63(35-47)55-19-11-15-23-67(55)83(71)7)75(78(50)2)44-52-40-60(48-28-32-72-64(36-48)56-20-12-16-24-68(56)84(72)8)76(80(52)4)43-51-39-58(74(41-49)79(51)3)46-26-30-70-62(34-46)54-18-10-14-22-66(54)82(70)6/h9-44H,1-8H3/q+2/b49-41-,50-42-,51-43-,52-44-,73-42-,74-41-,75-44-,76-43-.

What are the key properties of 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium?

21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium has a molecular weight of 1085.37 g/mol, XLogP of 16.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 21,22,23,24-tetramethyl-2,7,12,17-tetrakis(9-methylcarbazol-3-yl)porphyrin-21,23-diium is sourced from PubChem (CID 58435144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).